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Compound Detail

CHEMBL230333

NEUROPEPTIDE S
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CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

Basic Information

ChEMBL ID CHEMBL230333
Name NEUROPEPTIDE S
Phase Preclinical
Structure Type BOTH
InChI Key ZRCUKBVXFDZBKP-XJEBPGRNSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

2187.5
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C93H155N31O28S
MW 2187.52

Activity Summary

EC50 7 meas. best 9.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide S receptor
CHEMBL5162
EC50 9.17 9.12 0.7 2
Neuropeptide S receptor
CHEMBL5497
EC50 8.96 8.378 1.1 5

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21466221 10.1021/jm200138r Neuropeptide S receptor 6
19113861 10.1021/jm8012294 Neuropeptide S receptor 3
19113861 10.1021/jm8012294 Mus musculus 3
17696420 10.1021/jm0706822 Neuropeptide S receptor 2
18181564 10.1021/jm701204n Neuropeptide S receptor 2
18793857 10.1016/j.bmc.2008.08.073 Neuropeptide S receptor 2
19473027 10.1021/jm900604g Neuropeptide S receptor 2

Data from ChEMBL 36 via Core Engine